HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=3999",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=3997",
"results": [
{
"id": "jvasp-4370",
"created_at": "2022-09-04T14:37:08.450289Z",
"updated_at": "2022-09-04T14:37:08.450315Z",
"structure_string": "Pr1 Sb1\n1.0\n4.155313 0.000000 0.000000\n0.000000 4.155313 0.000000\n0.000000 0.000000 3.428519\nPr Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pr",
"Sb"
],
"chemical_system": "Pr-Sb",
"density": 7.367864666922827,
"density_atomic": 0.03378437972104538,
"volume": 59.198955745638145,
"volume_molar": 17.825222217262183,
"formula_full": "Pr1 Sb1",
"formula_reduced": "PrSb",
"formula_anonymous": "AB",
"energy_above_hull": 0.613662975,
"spacegroup": 123
},
{
"id": "jvasp-19790",
"created_at": "2022-09-04T14:38:28.585570Z",
"updated_at": "2022-09-04T14:38:28.585592Z",
"structure_string": "Pr1 Sb1\n1.0\n4.155313 0.000000 0.000000\n0.000000 4.155313 0.000000\n0.000000 0.000000 3.428519\nPr Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pr",
"Sb"
],
"chemical_system": "Pr-Sb",
"density": 7.367864666922827,
"density_atomic": 0.03378437972104538,
"volume": 59.198955745638145,
"volume_molar": 17.825222217262183,
"formula_full": "Pr1 Sb1",
"formula_reduced": "PrSb",
"formula_anonymous": "AB",
"energy_above_hull": 0.613662975,
"spacegroup": 123
},
{
"id": "jvasp-36152",
"created_at": "2022-09-04T14:37:17.864807Z",
"updated_at": "2022-09-04T14:37:17.864832Z",
"structure_string": "Er2 H2\n1.0\n1.789683 -3.099822 -0.000000\n1.789683 3.099822 0.000000\n0.000000 -0.000000 5.335428\nEr H\n2 2\ndirect\n0.333332 0.666666 0.250000 Er\n0.666666 0.333332 0.750000 Er\n0.000000 0.000000 0.500000 H\n0.000000 0.000000 0.000000 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Er",
"H"
],
"chemical_system": "Er-H",
"density": 9.439864529637163,
"density_atomic": 0.06756905779881861,
"volume": 59.1986943477838,
"volume_molar": 8.912571754264262,
"formula_full": "Er2 H2",
"formula_reduced": "ErH",
"formula_anonymous": "AB",
"energy_above_hull": 1.11864,
"spacegroup": 194
},
{
"id": "jvasp-79462",
"created_at": "2022-09-04T14:37:07.454349Z",
"updated_at": "2022-09-04T14:37:07.454378Z",
"structure_string": "Ti2 Al1 Ni1\n1.0\n-3.093316 -3.093316 0.000000\n-3.093316 -0.000000 -3.093316\n0.000000 -3.093316 -3.093316\nTi Al Ni\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Ti\n0.750001 0.750001 0.750001 Al\n0.500001 0.500001 0.500001 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Ni"
],
"chemical_system": "Al-Ni-Ti",
"density": 5.088677410902284,
"density_atomic": 0.06757049988335267,
"volume": 59.19743093369476,
"volume_molar": 8.912381542827202,
"formula_full": "Ti2 Al1 Ni1",
"formula_reduced": "Ti2AlNi",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.5261254666666666,
"spacegroup": 216
},
{
"id": "jvasp-70407",
"created_at": "2022-09-04T14:36:04.047248Z",
"updated_at": "2022-09-04T14:36:04.047276Z",
"structure_string": "Hf1 Be1 Sb1\n1.0\n1.593366 -2.759792 -0.000000\n1.593366 2.759792 0.000000\n0.000000 0.000000 6.730551\nHf Be Sb\n1 1 1\ndirect\n0.333334 0.666668 0.687785 Hf\n0.000000 0.000000 0.997197 Be\n0.666668 0.333334 0.315018 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Hf",
"Be",
"Sb"
],
"chemical_system": "Be-Hf-Sb",
"density": 8.675677526108416,
"density_atomic": 0.050681416263804874,
"volume": 59.19329452800846,
"volume_molar": 11.882345056526825,
"formula_full": "Hf1 Be1 Sb1",
"formula_reduced": "HfBeSb",
"formula_anonymous": "ABC",
"energy_above_hull": 2.7678217333333333,
"spacegroup": 156
},
{
"id": "jvasp-16499",
"created_at": "2022-09-04T14:37:50.166884Z",
"updated_at": "2022-09-04T14:37:50.166893Z",
"structure_string": "Sc1 Ga1 Cu2\n1.0\n3.788399 -0.000000 2.187233\n1.262800 3.571736 2.187233\n-0.000000 0.000000 4.374465\nSc Ga Cu\n1 1 2\ndirect\n0.500000 0.500001 0.500000 Sc\n0.000000 0.000000 0.000000 Ga\n0.750000 0.750001 0.749999 Cu\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ga",
"Cu"
],
"chemical_system": "Cu-Ga-Sc",
"density": 6.78255205631039,
"density_atomic": 0.06757716694925475,
"volume": 59.19159060047149,
"volume_molar": 8.911502260108307,
"formula_full": "Sc1 Ga1 Cu2",
"formula_reduced": "ScGaCu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.23055961875,
"spacegroup": 225
},
{
"id": "jvasp-41137",
"created_at": "2022-09-04T14:37:35.384968Z",
"updated_at": "2022-09-04T14:37:35.384983Z",
"structure_string": "Zn2 Rh1 Au1\n1.0\n0.000001 3.093194 3.093201\n3.093195 0.000003 3.093199\n3.093198 3.093195 0.000000\nZn Rh Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500002 0.500000 Zn\n0.749999 0.750000 0.749997 Rh\n0.250000 0.250000 0.249999 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Rh",
"Au"
],
"chemical_system": "Au-Rh-Zn",
"density": 12.082630638940266,
"density_atomic": 0.06757834249847304,
"volume": 59.19056094177482,
"volume_molar": 8.911347241368153,
"formula_full": "Zn2 Rh1 Au1",
"formula_reduced": "Zn2RhAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-71246",
"created_at": "2022-09-04T14:35:47.437737Z",
"updated_at": "2022-09-04T14:35:47.437767Z",
"structure_string": "Be2 Co1 Br1\n1.0\n3.042770 0.000000 0.000000\n0.000000 3.042770 0.000000\n0.000000 0.000000 6.392623\nBe Co Br\n2 1 1\ndirect\n0.000000 0.000000 0.978705 Be\n0.500000 0.500000 0.209595 Be\n0.500000 0.500000 0.898320 Co\n0.000000 0.000000 0.413378 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Co",
"Br"
],
"chemical_system": "Be-Br-Co",
"density": 4.400968702275736,
"density_atomic": 0.06758380621377855,
"volume": 59.18577576627382,
"volume_molar": 8.910626816357444,
"formula_full": "Be2 Co1 Br1",
"formula_reduced": "Be2CoBr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.79132930125,
"spacegroup": 99
},
{
"id": "jvasp-71011",
"created_at": "2022-09-04T14:36:07.925661Z",
"updated_at": "2022-09-04T14:36:07.925687Z",
"structure_string": "La1 Be1 Rh1\n1.0\n1.995545 -3.456386 -0.000000\n1.995545 3.456386 0.000000\n0.000000 0.000000 4.290152\nLa Be Rh\n1 1 1\ndirect\n0.333334 0.666668 0.333824 La\n0.000000 0.000000 0.833194 Be\n0.666668 0.333334 0.832982 Rh\n",
"nsites": 3,
"nelements": 3,
"elements": [
"La",
"Be",
"Rh"
],
"chemical_system": "Be-La-Rh",
"density": 7.03769239085585,
"density_atomic": 0.05069146194841037,
"volume": 59.18156400880991,
"volume_molar": 11.87999029526677,
"formula_full": "La1 Be1 Rh1",
"formula_reduced": "LaBeRh",
"formula_anonymous": "ABC",
"energy_above_hull": 1.7690547,
"spacegroup": 187
},
{
"id": "jvasp-86980",
"created_at": "2022-09-04T14:36:11.334997Z",
"updated_at": "2022-09-04T14:36:11.335031Z",
"structure_string": "B5 Mo2\n1.0\n3.025410 0.008103 6.774613\n1.450482 2.655046 6.774613\n0.013618 0.008103 7.419454\nB Mo\n5 2\ndirect\n0.500000 0.500000 0.499999 B\n0.815376 0.815374 0.815374 B\n0.331314 0.331313 0.331313 B\n0.668687 0.668686 0.668685 B\n0.184625 0.184625 0.184625 B\n0.924124 0.924122 0.924122 Mo\n0.075877 0.075877 0.075877 Mo\n",
"nsites": 7,
"nelements": 2,
"elements": [
"B",
"Mo"
],
"chemical_system": "B-Mo",
"density": 6.900759558648671,
"density_atomic": 0.11828386280611289,
"volume": 59.17967027737482,
"volume_molar": 5.091261493439135,
"formula_full": "B5 Mo2",
"formula_reduced": "B5Mo2",
"formula_anonymous": "A2B5",
"energy_above_hull": 5.619647816666666,
"spacegroup": 166
},
{
"id": "jvasp-62885",
"created_at": "2022-09-04T14:35:47.026230Z",
"updated_at": "2022-09-04T14:35:47.026258Z",
"structure_string": "B5 Mo2\n1.0\n7.257035 -1.540114 0.007946\n7.257035 1.540114 0.007946\n6.927288 0.000000 2.655042\nB Mo\n5 2\ndirect\n0.668684 0.668684 0.668686 B\n0.331315 0.331315 0.331316 B\n0.815370 0.815370 0.815372 B\n0.184629 0.184629 0.184630 B\n0.499999 0.499999 0.500001 B\n0.924140 0.924140 0.924143 Mo\n0.075858 0.075858 0.075859 Mo\n",
"nsites": 7,
"nelements": 2,
"elements": [
"B",
"Mo"
],
"chemical_system": "B-Mo",
"density": 6.900783957000856,
"density_atomic": 0.1182842810109957,
"volume": 59.17946104224348,
"volume_molar": 5.091243492818951,
"formula_full": "B5 Mo2",
"formula_reduced": "B5Mo2",
"formula_anonymous": "A2B5",
"energy_above_hull": 5.619640673809524,
"spacegroup": 166
},
{
"id": "jvasp-35692",
"created_at": "2022-09-04T14:37:19.021310Z",
"updated_at": "2022-09-04T14:37:19.021329Z",
"structure_string": "K1 In1 O2\n1.0\n-1.672321 -2.896575 -0.000043\n-3.344668 0.000015 -0.000043\n-1.672407 -0.965564 -6.108395\nK In O\n1 1 2\ndirect\n0.499996 0.499995 0.499990 K\n0.000000 0.000004 0.999992 In\n0.270526 0.270526 0.188399 O\n0.729478 0.729477 0.811586 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"In",
"O"
],
"chemical_system": "In-K-O",
"density": 5.216746936114141,
"density_atomic": 0.06759210923574209,
"volume": 59.178505379217206,
"volume_molar": 8.90953223400158,
"formula_full": "K1 In1 O2",
"formula_reduced": "KInO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4048112425,
"spacegroup": 166
}
]
}